ethyl 4-fluoranyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C18H15FN4O2S2 MolecularWeight: 402.465703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H15FN4O2S2/c1-3-25-18(24)15-11(14-12(19)5-4-6-13(14)27-15)8-26-17-10-7-22-23(2)16(10)20-9-21-17/h4-7,9H,3,8H2,1-2H3